00001 // 00002 // Copyright (C) 2004-2008 Greg Landrum and Rational Discovery LLC 00003 // 00004 // @@ All Rights Reserved @@ 00005 // This file is part of the RDKit. 00006 // The contents are covered by the terms of the BSD license 00007 // which is included in the file license.txt, found at the root 00008 // of the RDKit source tree. 00009 // 00010 #ifndef __CHEMICALFEATURE_H_11012005_1310__ 00011 #define __CHEMICALFEATURE_H_11012005_1310__ 00012 00013 #include <Geometry/point.h> 00014 namespace ChemicalFeatures { 00015 00016 //------------------------------------------------------------------ 00017 //! abstract base class for chemical feature 00018 class ChemicalFeature { 00019 public: 00020 ChemicalFeature() {}; 00021 virtual ~ChemicalFeature() {}; 00022 00023 // returns the type of the feature 00024 virtual const std::string& getType() const = 0; 00025 00026 // returns the family of the feature 00027 virtual const std::string& getFamily() const = 0; 00028 00029 // returns the position of the feature 00030 virtual RDGeom::Point3D getPos() const = 0; 00031 }; 00032 } 00033 00034 #endif 00035
1.7.1